| CAS Number | 6045-90-5 |
| Catalog Number | AG01A2RA(AGN-PC-01VLIX) |
| Chemical Name | 4-Chloro-2,6-dimethylbenzaldehyde |
| IUPAC Name | 4-chloro-2,6-dimethylbenzaldehyde |
| InChI | InChI=1S/C9H9ClO/c1-6-3-8(10)4-7(2)9(6)5-11/h3-5H,1-2H3 |
| InChI Key | GRVCMDLDRVEOSY-UHFFFAOYSA-N |
| MDL Number | MFCD11846957 |
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.6202 |
| SMILES | O=CC1=C(C)C=C(Cl)C=C1C |
| Synonyms | 4-CHLORO-2,6-DIMETHYLBENZALDEHYDE,
4-Chloro-2,6-dimethybenzaldehyde,
6045-90-5,
SCHEMBL5729812,
GRVCMDLDRVEOSY-UHFFFAOYSA-N,
4-Chloro-2,6-dimethyl benzaldehyde,
MFCD11846957,
ZINC83255448,
AKOS027276463,
SC-31452,
Z0724,
Q-7509,
C9H9ClO,
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| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.62g/mol |
| Monoisotopic Mass | 168.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number